7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C23H19ClN2O2 — CID 11696796

IUPAC7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O2/c1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12,14,20H,13H2,1H3,(H,25,27)
InChIKeyGCJJQBPYGHJOMS-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.32
Rot. Bonds3

About 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 11696796) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID11696796
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O2/c1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12,14,20H,13H2,1H3,(H,25,27)
InChIKeyGCJJQBPYGHJOMS-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 11696796) is 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is GCJJQBPYGHJOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12,14,20H,13H2,1H3,(H,25,27).
What are the key properties of 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 390.87 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-3-[(3-phenylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 11696796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).